MCULE-7545727356
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
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Guaranteed purity (%) | Delivery time
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1 mg | 35 USD | 90 | 17 working days | Get Quote |
5 mg | 52 USD | 90 | 17 working days | Get Quote |
10 mg | 67 USD | 90 | 17 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-7545727356.sdf |
SMILES | MCULE-7545727356.smiles |
Standard InChI | MCULE-7545727356.inchi |
InChIKey | MCULE-7545727356.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-13259912 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-3142493 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 56 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 464.595 |
logP | 3.3639 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 9 |
PSA | 74.11 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 139.0422 |
Atoms | 70 |
Rings | 3 |
Heavy atoms | 34 |
Hydrogen atoms | 36 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |